Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13517774 | 0.95 | ALDH1A1 (0.60) | ALDH1A1TSHRATMHPGDEPHX1 | |
| SCHEMBL11510299 | 0.88 | ALDH1A1 (0.61) | ALDH1A1TSHRATMHPGDEPHX1 | |
| SCHEMBL137155 | 0.83 | ALDH1A1 (0.67) | ALDH1A1TSHRATMHPGDEPHX1 | |
| SCHEMBL5501929 | 0.83 | ALDH1A1 (0.67) | ALDH1A1TSHRATMHPGDEPHX1 | |
| SCHEMBL28787473 | 0.83 | ALDH1A1 (0.67) | ALDH1A1TSHRATMHPGDEPHX1 | |
| SCHEMBL15913426 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TSHRATMHPGDEPHX1 | |
| SCHEMBL251951 | 0.82 | ALDH1A1 (0.60) | ALDH1A1TSHRATMHPGDEPHX1 | |
| SCHEMBL5159295 | 0.81 | ALDH1A1 (0.65) | ALDH1A1TSHRATMHPGDEPHX1 | |
| SCHEMBL139434 | 0.81 | ALDH1A1 (0.65) | ALDH1A1TSHRATMHPGDEPHX1 | |
| SCHEMBL8709672 | 0.81 | ALDH1A1 (0.65) | ALDH1A1TSHRATMHPGDEPHX1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013010882-A2 | 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-01-24 | — | — | WO | disclosed |